element(s):
['Au', 'Cu']
AFLOW prototype label:
AB3_cP4_221_a_c
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.7854']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Au', 'Cu']
representative atom coordinates =  [[0.  0.  0. ]
 [0.  0.5 0.5]]
spacegroup =  221
cell =  [[3.7854, 0, 0], [0, 3.7854, 0], [0, 0, 3.7854]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 17:09:22      -67.757073        10.508506
BFGS:    1 17:09:22      -69.113102         7.465194
BFGS:    2 17:09:22      -69.933777         3.277078
BFGS:    3 17:09:23      -70.089395         0.846314
BFGS:    4 17:09:23      -70.098424         0.089852
BFGS:    5 17:09:23      -70.098530         0.001757
BFGS:    6 17:09:23      -70.098530         0.000004
BFGS:    7 17:09:24      -70.098530         0.000000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.231903995522472e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Au', 'Cu', 'Cu', 'Cu']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [3.73834103e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[3.6605957587020805, -1.7901977254199306e-32, -8.084660543266436e-33], [-1.5008803673735744e-32, 3.6605957587020805, -4.279613543249836e-19], [6.1235579891538724e-33, -4.279613543249923e-19, 3.6605957587020805]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 1.23190400e-11  1.23190400e-11  1.23190400e-11 -3.05553785e-28
  6.13233196e-34 -1.26800494e-50]
energy per atom =  -17.52463262477299
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0